N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide

C16H16N2O3 — CID 95982464

IUPACN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCn1cccc1[C@@H](O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H16N2O3/c1-18-8-4-6-12(18)13(19)10-17-16(20)15-9-11-5-2-3-7-14(11)21-15/h2-9,13,19H,10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyNAHMTFFEUDVCEO-ZDUSSCGKSA-N
MW284.31 g/mol
LogP2.23
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 95982464) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID95982464
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCn1cccc1[C@@H](O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H16N2O3/c1-18-8-4-6-12(18)13(19)10-17-16(20)15-9-11-5-2-3-7-14(11)21-15/h2-9,13,19H,10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyNAHMTFFEUDVCEO-ZDUSSCGKSA-N
XLogP2.23
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 93486038
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 95982464) is N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide is Cn1cccc1[C@@H](O)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NAHMTFFEUDVCEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18-8-4-6-12(18)13(19)10-17-16(20)15-9-11-5-2-3-7-14(11)21-15/h2-9,13,19H,10H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95982464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).